2-(5-bromo-2-methylphenyl)-4-(chloromethyl)-1,3-oxazole

C11H9BrClNO — CID 65311925

IUPAC2-(5-bromo-2-methylphenyl)-4-(chloromethyl)-1,3-oxazole
SMILESCc1ccc(Br)cc1-c1nc(CCl)co1
InChIInChI=1S/C11H9BrClNO/c1-7-2-3-8(12)4-10(7)11-14-9(5-13)6-15-11/h2-4,6H,5H2,1H3
InChIKeyZVMSCECEXHBBFN-UHFFFAOYSA-N
MW286.56 g/mol
LogP4.15
Rot. Bonds2

About 2-(5-bromo-2-methylphenyl)-4-(chloromethyl)-1,3-oxazole

2-(5-bromo-2-methylphenyl)-4-(chloromethyl)-1,3-oxazole (PubChem CID 65311925) has the molecular formula C11H9BrClNO and a molecular weight of 286.56 g/mol. Its IUPAC name is 2-(5-bromo-2-methylphenyl)-4-(chloromethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(5-bromo-2-methylphenyl)-4-(chloromethyl)-1,3-oxazole
PubChem CID65311925
Molecular FormulaC11H9BrClNO
Molecular Weight286.56 g/mol
Exact Mass284.96
IUPAC Name2-(5-bromo-2-methylphenyl)-4-(chloromethyl)-1,3-oxazole
SMILESCc1ccc(Br)cc1-c1nc(CCl)co1
InChIInChI=1S/C11H9BrClNO/c1-7-2-3-8(12)4-10(7)11-14-9(5-13)6-15-11/h2-4,6H,5H2,1H3
InChIKeyZVMSCECEXHBBFN-UHFFFAOYSA-N
XLogP4.15
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.56
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-(5-bromo-2-methylphenyl)-4-(chloromethyl)-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(chloromethyl)-2-(2-chloro-4-methylphenyl)-1,3-oxazole
CID 106862629
2-(2-bromo-4-chlorophenyl)-4-(chloromethyl)-1,3-oxazole
CID 107991092
[2-(4-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methanamine
CID 65289102
N-[[2-(5-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 65288466
4-ethyl-2-[5-[3-(4-ethyl-1,3-oxazol-2-yl)-4-methylphenoxy]-2-methylphenyl]-1,3-oxazole
CID 174461219
N-[[2-(2,5-dibromophenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 114376121
2-(9-bromophenazin-1-yl)-4-(chloromethyl)-1,3-oxazole
CID 174979883
2-(5-bromo-2-methylphenyl)-5-(2-chloroethyl)-1,3,4-oxadiazole
CID 65307879
N-[[2-(2,5-dibromophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 114376117
N-[[2-(4-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 65287897
N-[[2-(5-fluoro-2-methylphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 65288582
4-(chloromethyl)-2-(3-chloro-4-methylthiophen-2-yl)-1,3-oxazole
CID 103404233

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methylphenyl)-4-(chloromethyl)-1,3-oxazole?
The IUPAC name of 2-(5-bromo-2-methylphenyl)-4-(chloromethyl)-1,3-oxazole (CID 65311925) is 2-(5-bromo-2-methylphenyl)-4-(chloromethyl)-1,3-oxazole.
What is the SMILES notation for 2-(5-bromo-2-methylphenyl)-4-(chloromethyl)-1,3-oxazole?
The canonical SMILES for 2-(5-bromo-2-methylphenyl)-4-(chloromethyl)-1,3-oxazole is Cc1ccc(Br)cc1-c1nc(CCl)co1.
What is the InChIKey of 2-(5-bromo-2-methylphenyl)-4-(chloromethyl)-1,3-oxazole?
The InChIKey is ZVMSCECEXHBBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClNO/c1-7-2-3-8(12)4-10(7)11-14-9(5-13)6-15-11/h2-4,6H,5H2,1H3.
What are the key properties of 2-(5-bromo-2-methylphenyl)-4-(chloromethyl)-1,3-oxazole?
2-(5-bromo-2-methylphenyl)-4-(chloromethyl)-1,3-oxazole has a molecular weight of 286.56 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methylphenyl)-4-(chloromethyl)-1,3-oxazole is sourced from PubChem (CID 65311925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).